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

Systemtic Name: methyl 2-[[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]amino]ethanoate Openeye Name: methyl 2-[[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]acetate CAS Name: 2-[[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(benzylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]acetate Traditional Name: 2-[[6-(benzylamino)-7-nitro-benzofurazan-4-yl]amino]acetic acid methyl ester Formula: C16H15N5O5 MolecularWeight: 357.3208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C16H15N5O5/c1-25-13(22)9-18-11-7-12(17-8-10-5-3-2-4-6-10)16(21(23)24)15-14(11)19-26-20-15/h2-7,17-18H,8-9H2,1H3