[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-phenylazanyl-benzoate

Systemtic Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-phenylazanyl-benzoate Openeye Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxo-ethyl] 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-keto-ethyl] ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)COC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1CC1)NC(=O)COC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-13(14-7-8-14)21-19(24)12-28-20(25)15-9-10-17(18(11-15)23(26)27)22-16-5-3-2-4-6-16/h2-6,9-11,13-14,22H,7-8,12H2,1H3,(H,21,24)/t13-/m1/s1