diethyl 2-[2-nitro-4-[(phenylmethyl)amino]naphthalen-1-yl]propanedioate

Systemtic Name: diethyl 2-[2-nitro-4-[(phenylmethyl)amino]naphthalen-1-yl]propanedioate Openeye Name: diethyl 2-[4-(benzylamino)-2-nitro-1-naphthyl]propanedioate CAS Name: 2-[2-nitro-4-[(phenylmethyl)amino]-1-naphthalenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(benzylamino)-2-nitronaphthalen-1-yl]propanedioate Traditional Name: 2-[4-(benzylamino)-2-nitro-1-naphthyl]malonic acid diethyl ester Formula: C24H24N2O6 MolecularWeight: 436.45716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=C(C2=CC=CC=C21)NCC3=CC=CC=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=C(C=C(C2=CC=CC=C21)NCC3=CC=CC=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C24H24N2O6/c1-3-31-23(27)22(24(28)32-4-2)21-18-13-9-8-12-17(18)19(14-20(21)26(29)30)25-15-16-10-6-5-7-11-16/h5-14,22,25H,3-4,15H2,1-2H3