methyl 2-[[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]amino]benzoate

Systemtic Name: methyl 2-[[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]amino]benzoate Openeye Name: methyl 2-[[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzoate CAS Name: 2-[[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzoate Traditional Name: 2-[[6-(benzylamino)-7-nitro-benzofurazan-4-yl]amino]benzoic acid methyl ester Formula: C21H17N5O5 MolecularWeight: 419.39018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C21H17N5O5/c1-30-21(27)14-9-5-6-10-15(14)23-16-11-17(22-12-13-7-3-2-4-8-13)20(26(28)29)19-18(16)24-31-25-19/h2-11,22-23H,12H2,1H3