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2-[6-nitro-3-oxidanylidene-8-[(phenylcarbamoylamino)methyl]-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid

2-[6-nitro-3-oxidanylidene-8-[(phenylcarbamoylamino)methyl]-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid

Systemtic Name:2-[6-nitro-3-oxidanylidene-8-[(phenylcarbamoylamino)methyl]-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid
Openeye Name:2-[6-nitro-3-oxo-8-[(phenylcarbamoylamino)methyl]-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid
CAS Name:2-[8-[[[anilino(oxo)methyl]amino]methyl]-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid
IUPAC Name:2-[6-nitro-3-oxo-8-[(phenylcarbamoylamino)methyl]-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid
Traditional Name:2-[3-keto-6-nitro-8-[(phenylcarbamoylamino)methyl]-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid
Formula: C18H17N5O6
MolecularWeight: 399.35748
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NCC2=CC(=CC3=C2NC(C(=O)N3)CC(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NCC2=CC(=CC3=C2NC(C(=O)N3)CC(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C18H17N5O6/c24-15(25)8-14-17(26)22-13-7-12(23(28)29)6-10(16(13)21-14)9-19-18(27)20-11-4-2-1-3-5-11/h1-7,14,21H,8-9H2,(H,22,26)(H,24,25)(H2,19,20,27)


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