4-(4-nitrophenyl)butyl 2-[azanyl(methyl)amino]-2-(3-cyanophenyl)ethanoate

Systemtic Name: 4-(4-nitrophenyl)butyl 2-[azanyl(methyl)amino]-2-(3-cyanophenyl)ethanoate Openeye Name: 4-(4-nitrophenyl)butyl 2-[amino(methyl)amino]-2-(3-cyanophenyl)acetate CAS Name: 2-[amino(methyl)amino]-2-(3-cyanophenyl)acetic acid 4-(4-nitrophenyl)butyl ester IUPAC Name: 4-(4-nitrophenyl)butyl 2-[amino(methyl)amino]-2-(3-cyanophenyl)acetate Traditional Name: 2-[amino(methyl)amino]-2-(3-cyanophenyl)acetic acid 4-(4-nitrophenyl)butyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(C1=CC=CC(=C1)C#N)C(=O)OCCCCC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CN(C(C1=CC=CC(=C1)C#N)C(=O)OCCCCC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C20H22N4O4/c1-23(22)19(17-7-4-6-16(13-17)14-21)20(25)28-12-3-2-5-15-8-10-18(11-9-15)24(26)27/h4,6-11,13,19H,2-3,5,12,22H2,1H3