N-[2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[2-[(4-chloro-3-nitro-benzoyl)amino]ethyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]ethyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[2-[(4-chloro-3-nitrobenzoyl)amino]ethyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[2-[(4-chloro-3-nitro-benzoyl)amino]ethyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C18H14ClN5O5 MolecularWeight: 415.78726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)NCCNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)NCCNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN5O5/c19-12-6-5-10(9-14(12)24(28)29)16(25)20-7-8-21-18(27)15-22-13-4-2-1-3-11(13)17(26)23-15/h1-6,9H,7-8H2,(H,20,25)(H,21,27)(H,22,23,26)