2-[(4-nitrophenyl)amino]-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one

Systemtic Name: 2-[(4-nitrophenyl)amino]-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one Openeye Name: 2-(4-nitroanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one CAS Name: 2-(4-nitroanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one IUPAC Name: 2-(4-nitroanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one Traditional Name: 2-(4-nitroanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one Formula: C18H13N5O3 MolecularWeight: 347.32752

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CN=C(N=C2C3=CC=CC=C3NC1=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CN=C(N=C2C3=CC=CC=C3NC1=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O3/c24-16-9-11-10-19-18(20-12-5-7-13(8-6-12)23(25)26)22-17(11)14-3-1-2-4-15(14)21-16/h1-8,10H,9H2,(H,21,24)(H,19,20,22)