4-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-3-nitro-benzoic acid; propan-1-amine; hydrochloride

Systemtic Name: 4-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-3-nitro-benzoic acid; propan-1-amine; hydrochloride Openeye Name: 4-[(3-methoxy-3-oxo-propanoyl)amino]-3-nitro-benzoic acid; propan-1-amine; hydrochloride CAS Name: 4-[(3-methoxy-1,3-dioxopropyl)amino]-3-nitrobenzoic acid; 1-propanamine; hydrochloride IUPAC Name: 4-[(3-methoxy-3-oxopropanoyl)amino]-3-nitrobenzoic acid; propan-1-amine; hydrochloride Traditional Name: 4-[(3-keto-3-methoxy-propanoyl)amino]-3-nitro-benzoic acid; propylamine; hydrochloride Formula: C14H20ClN3O7 MolecularWeight: 377.7775

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Descriptors Computed from Structure

Canonical SMILES:

CCCN.COC(=O)CC(=O)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-].Cl

Isomeric SMILES

CCCN.COC(=O)CC(=O)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C11H10N2O7.C3H9N.ClH/c1-20-10(15)5-9(14)12-7-3-2-6(11(16)17)4-8(7)13(18)19;1-2-3-4;/h2-4H,5H2,1H3,(H,12,14)(H,16,17);2-4H2,1H3;1H