methyl 2-[methyl-[2-oxidanylidene-2-(propylamino)ethyl]amino]-5-nitro-benzoate

Systemtic Name: methyl 2-[methyl-[2-oxidanylidene-2-(propylamino)ethyl]amino]-5-nitro-benzoate Openeye Name: methyl 2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-nitro-benzoate CAS Name: 2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-nitrobenzoate Traditional Name: 2-[[2-keto-2-(propylamino)ethyl]-methyl-amino]-5-nitro-benzoic acid methyl ester Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCNC(=O)CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H19N3O5/c1-4-7-15-13(18)9-16(2)12-6-5-10(17(20)21)8-11(12)14(19)22-3/h5-6,8H,4,7,9H2,1-3H3,(H,15,18)