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

Systemtic Name: methyl 2-[[5-acetamido-4-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-2-methoxy-phenyl]-prop-2-enyl-amino]ethanoate Openeye Name: methyl 2-[5-acetamido-N-allyl-4-(2-bromo-4,6-dinitro-phenyl)azo-2-methoxy-anilino]acetate CAS Name: 2-[5-acetamido-4-(2-bromo-4,6-dinitrophenyl)azo-2-methoxy-N-prop-2-enylanilino]acetic acid methyl ester IUPAC Name: methyl 2-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxy-N-prop-2-enylanilino]acetate Traditional Name: 2-[5-acetamido-N-allyl-4-(2-bromo-4,6-dinitro-phenyl)azo-2-methoxy-anilino]acetic acid methyl ester Formula: C21H21BrN6O8 MolecularWeight: 565.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CC=C)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CC=C)CC(=O)OC

InChI

InChI=1S/C21H21BrN6O8/c1-5-6-26(11-20(30)36-4)17-9-15(23-12(2)29)16(10-19(17)35-3)24-25-21-14(22)7-13(27(31)32)8-18(21)28(33)34/h5,7-10H,1,6,11H2,2-4H3,(H,23,29)