[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(dimethylaminodiazenyl)benzoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(dimethylaminodiazenyl)benzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-(dimethylaminoazo)benzoate CAS Name: 2-(dimethylaminoazo)benzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-(dimethylaminodiazenyl)benzoate Traditional Name: 2-(dimethylaminoazo)benzoic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2N=NN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2N=NN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O5/c1-12-8-9-13(10-16(12)23(26)27)19-17(24)11-28-18(25)14-6-4-5-7-15(14)20-21-22(2)3/h4-10H,11H2,1-3H3,(H,19,24)