[2-(tert-butylamino)-2-oxidanylidene-ethyl] 3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-20(2,3)22-18(24)13-28-19(25)15-9-10-16(17(11-15)23(26)27)21-12-14-7-5-4-6-8-14/h4-11,21H,12-13H2,1-3H3,(H,22,24)