2-(3-methylphenoxy)ethyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: 2-(3-methylphenoxy)ethyl 4-(methylamino)-3-nitro-benzoate Openeye Name: 2-(3-methylphenoxy)ethyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid 2-(3-methylphenoxy)ethyl ester Formula: C17H18N2O5 MolecularWeight: 330.33522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5/c1-12-4-3-5-14(10-12)23-8-9-24-17(20)13-6-7-15(18-2)16(11-13)19(21)22/h3-7,10-11,18H,8-9H2,1-2H3