ethyl 4-[[5-acetamido-4-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-2-methoxy-phenyl]-prop-2-enyl-amino]butanoate

Systemtic Name: ethyl 4-[[5-acetamido-4-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-2-methoxy-phenyl]-prop-2-enyl-amino]butanoate Openeye Name: ethyl 4-[5-acetamido-N-allyl-4-(2-bromo-4,6-dinitro-phenyl)azo-2-methoxy-anilino]butanoate CAS Name: 4-[5-acetamido-4-(2-bromo-4,6-dinitrophenyl)azo-2-methoxy-N-prop-2-enylanilino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxy-N-prop-2-enylanilino]butanoate Traditional Name: 4-[5-acetamido-N-allyl-4-(2-bromo-4,6-dinitro-phenyl)azo-2-methoxy-anilino]butyric acid ethyl ester Formula: C24H27BrN6O8 MolecularWeight: 607.41058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(CC=C)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)CCCN(CC=C)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C24H27BrN6O8/c1-5-9-29(10-7-8-23(33)39-6-2)20-13-18(26-15(3)32)19(14-22(20)38-4)27-28-24-17(25)11-16(30(34)35)12-21(24)31(36)37/h5,11-14H,1,6-10H2,2-4H3,(H,26,32)