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

Systemtic Name: ethyl 2-[[4-nitro-5-[(phenylmethyl)amino]-2,1,3-benzoxadiazol-7-yl]amino]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H17N5O5 MolecularWeight: 371.34738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O5/c1-2-26-14(23)10-19-12-8-13(18-9-11-6-4-3-5-7-11)17(22(24)25)16-15(12)20-27-21-16/h3-8,18-19H,2,9-10H2,1H3