ethyl 4-[(2-chloranyl-3,5-dinitro-phenyl)carbonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-[(2-chloranyl-3,5-dinitro-phenyl)carbonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[(2-chloro-3,5-dinitro-benzoyl)amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[(2-chloro-3,5-dinitrophenyl)-oxomethyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-3,5-dinitrobenzoyl)amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[(2-chloro-3,5-dinitro-benzoyl)amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C20H16ClN5O7 MolecularWeight: 473.82334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3=CC(=CC(=C3Cl)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3=CC(=CC(=C3Cl)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C20H16ClN5O7/c1-3-33-20(28)16-10(2)22-13-6-4-5-7-14(13)23-18(16)24-19(27)12-8-11(25(29)30)9-15(17(12)21)26(31)32/h4-9,22H,3H2,1-2H3,(H,23,24,27)