ethyl 2-[2-nitro-4-[(phenylmethyl)amino]naphthalen-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-nitro-4-[(phenylmethyl)amino]naphthalen-1-yl]ethanoate Openeye Name: ethyl 2-[4-(benzylamino)-2-nitro-1-naphthyl]acetate CAS Name: 2-[2-nitro-4-[(phenylmethyl)amino]-1-naphthalenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(benzylamino)-2-nitronaphthalen-1-yl]acetate Traditional Name: 2-[4-(benzylamino)-2-nitro-1-naphthyl]acetic acid ethyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=C(C2=CC=CC=C21)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=C(C=C(C2=CC=CC=C21)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O4/c1-2-27-21(24)12-18-16-10-6-7-11-17(16)19(13-20(18)23(25)26)22-14-15-8-4-3-5-9-15/h3-11,13,22H,2,12,14H2,1H3