methyl 3-[bis(2-cyanoethyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[bis(2-cyanoethyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[bis(2-cyanoethyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[bis(2-cyanoethyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[bis(2-cyanoethyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[bis(2-cyanoethyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C15H14N4O5 MolecularWeight: 330.29546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O5/c1-24-15(21)12-8-11(9-13(10-12)19(22)23)14(20)18(6-2-4-16)7-3-5-17/h8-10H,2-3,6-7H2,1H3