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4-[4-azanyl-2-[(3-nitrophenyl)carbonylamino]phenoxy]phthalic acid

4-[4-azanyl-2-[(3-nitrophenyl)carbonylamino]phenoxy]phthalic acid

Systemtic Name:4-[4-azanyl-2-[(3-nitrophenyl)carbonylamino]phenoxy]phthalic acid
Openeye Name:4-[4-amino-2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid
CAS Name:4-[4-amino-2-[[(3-nitrophenyl)-oxomethyl]amino]phenoxy]phthalic acid
IUPAC Name:4-[4-amino-2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid
Traditional Name:4-[4-amino-2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid
Formula: C21H15N3O8
MolecularWeight: 437.3591
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)N)OC3=CC(=C(C=C3)C(=O)O)C(=O)O


Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)N)OC3=CC(=C(C=C3)C(=O)O)C(=O)O


InChI

InChI=1S/C21H15N3O8/c22-12-4-7-18(32-14-5-6-15(20(26)27)16(10-14)21(28)29)17(9-12)23-19(25)11-2-1-3-13(8-11)24(30)31/h1-10H,22H2,(H,23,25)(H,26,27)(H,28,29)


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