1-[5-methoxy-2-nitro-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]ethyl ethanoate

Systemtic Name: 1-[5-methoxy-2-nitro-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]ethyl ethanoate Openeye Name: 1-[4-[2-(benzylamino)-2-oxo-ethoxy]-5-methoxy-2-nitro-phenyl]ethyl acetate CAS Name: acetic acid 1-[5-methoxy-2-nitro-4-[2-oxo-2-[(phenylmethyl)amino]ethoxy]phenyl]ethyl ester IUPAC Name: 1-[4-[2-(benzylamino)-2-oxoethoxy]-5-methoxy-2-nitrophenyl]ethyl acetate Traditional Name: acetic acid 1-[4-[2-(benzylamino)-2-keto-ethoxy]-5-methoxy-2-nitro-phenyl]ethyl ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1[N+](=O)[O-])OCC(=O)NCC2=CC=CC=C2)OC)OC(=O)C

Isomeric SMILES

CC(C1=CC(=C(C=C1[N+](=O)[O-])OCC(=O)NCC2=CC=CC=C2)OC)OC(=O)C

InChI

InChI=1S/C20H22N2O7/c1-13(29-14(2)23)16-9-18(27-3)19(10-17(16)22(25)26)28-12-20(24)21-11-15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3,(H,21,24)