ethyl 3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-1-phenyl-1H-benzo[f]chromene-2-carboxylate

Systemtic Name: ethyl 3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-1-phenyl-1H-benzo[f]chromene-2-carboxylate Openeye Name: ethyl 3-[(4-chloro-3-nitro-benzoyl)amino]-1-phenyl-1H-benzo[f]chromene-2-carboxylate CAS Name: 3-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-1-phenyl-1H-benzo[f][1]benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-chloro-3-nitrobenzoyl)amino]-1-phenyl-1H-benzo[f]chromene-2-carboxylate Traditional Name: 3-[(4-chloro-3-nitro-benzoyl)amino]-1-phenyl-1H-benzo[f]chromene-2-carboxylic acid ethyl ester Formula: C29H21ClN2O6 MolecularWeight: 528.93984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3)C4=CC=CC=C4C=C2)NC(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3)C4=CC=CC=C4C=C2)NC(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C29H21ClN2O6/c1-2-37-29(34)26-24(18-9-4-3-5-10-18)25-20-11-7-6-8-17(20)13-15-23(25)38-28(26)31-27(33)19-12-14-21(30)22(16-19)32(35)36/h3-16,24H,2H2,1H3,(H,31,33)