methyl 2-[[3-(cyclopropylcarbonylamino)phenyl]methylamino]-5-nitro-benzoate

Systemtic Name: methyl 2-[[3-(cyclopropylcarbonylamino)phenyl]methylamino]-5-nitro-benzoate Openeye Name: methyl 2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-5-nitro-benzoate CAS Name: 2-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-5-nitrobenzoate Traditional Name: 2-[[3-(cyclopropanecarbonylamino)benzyl]amino]-5-nitro-benzoic acid methyl ester Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC(=CC=C2)NC(=O)C3CC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC(=CC=C2)NC(=O)C3CC3

InChI

InChI=1S/C19H19N3O5/c1-27-19(24)16-10-15(22(25)26)7-8-17(16)20-11-12-3-2-4-14(9-12)21-18(23)13-5-6-13/h2-4,7-10,13,20H,5-6,11H2,1H3,(H,21,23)