methyl 4-[(4-methoxycarbonylphenyl)-[(2,4,6-trinitrophenyl)amino]amino]benzoate

Systemtic Name: methyl 4-[(4-methoxycarbonylphenyl)-[(2,4,6-trinitrophenyl)amino]amino]benzoate Openeye Name: methyl 4-(4-methoxycarbonyl-N-(2,4,6-trinitroanilino)anilino)benzoate CAS Name: 4-(4-methoxycarbonyl-N-(2,4,6-trinitroanilino)anilino)benzoic acid methyl ester IUPAC Name: methyl 4-(4-methoxycarbonyl-N-(2,4,6-trinitroanilino)anilino)benzoate Traditional Name: 4-(4-carbomethoxy-N-(2,4,6-trinitroanilino)anilino)benzoic acid methyl ester Formula: C22H17N5O10 MolecularWeight: 511.39788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(=O)OC)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(=O)OC)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O10/c1-36-21(28)13-3-7-15(8-4-13)24(16-9-5-14(6-10-16)22(29)37-2)23-20-18(26(32)33)11-17(25(30)31)12-19(20)27(34)35/h3-12,23H,1-2H3