ethyl 3-[(3,5-dinitrophenyl)carbonylamino]-1-phenyl-1H-benzo[f]chromene-2-carboxylate

Systemtic Name: ethyl 3-[(3,5-dinitrophenyl)carbonylamino]-1-phenyl-1H-benzo[f]chromene-2-carboxylate Openeye Name: ethyl 3-[(3,5-dinitrobenzoyl)amino]-1-phenyl-1H-benzo[f]chromene-2-carboxylate CAS Name: 3-[[(3,5-dinitrophenyl)-oxomethyl]amino]-1-phenyl-1H-benzo[f][1]benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3,5-dinitrobenzoyl)amino]-1-phenyl-1H-benzo[f]chromene-2-carboxylate Traditional Name: 3-[(3,5-dinitrobenzoyl)amino]-1-phenyl-1H-benzo[f]chromene-2-carboxylic acid ethyl ester Formula: C29H21N3O8 MolecularWeight: 539.49234

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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(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C29H21N3O8/c1-2-39-29(34)26-24(18-9-4-3-5-10-18)25-22-11-7-6-8-17(22)12-13-23(25)40-28(26)30-27(33)19-14-20(31(35)36)16-21(15-19)32(37)38/h3-16,24H,2H2,1H3,(H,30,33)