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

Systemtic Name: 1-[5-methoxy-2-nitro-4-[4-oxidanylidene-4-[(phenylmethyl)amino]butoxy]phenyl]ethyl ethanoate Openeye Name: 1-[4-[4-(benzylamino)-4-oxo-butoxy]-5-methoxy-2-nitro-phenyl]ethyl acetate CAS Name: acetic acid 1-[5-methoxy-2-nitro-4-[4-oxo-4-[(phenylmethyl)amino]butoxy]phenyl]ethyl ester IUPAC Name: 1-[4-[4-(benzylamino)-4-oxobutoxy]-5-methoxy-2-nitrophenyl]ethyl acetate Traditional Name: acetic acid 1-[4-[4-(benzylamino)-4-keto-butoxy]-5-methoxy-2-nitro-phenyl]ethyl ester Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7/c1-15(31-16(2)25)18-12-20(29-3)21(13-19(18)24(27)28)30-11-7-10-22(26)23-14-17-8-5-4-6-9-17/h4-6,8-9,12-13,15H,7,10-11,14H2,1-3H3,(H,23,26)