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

Systemtic Name: 4-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-3-nitro-benzoic acid; 4-propylthiomorpholine; hydrochloride Openeye Name: 4-[(3-methoxy-3-oxo-propanoyl)amino]-3-nitro-benzoic acid; 4-propylthiomorpholine; hydrochloride CAS Name: 4-[(3-methoxy-1,3-dioxopropyl)amino]-3-nitrobenzoic acid; 4-propylthiomorpholine; hydrochloride IUPAC Name: 4-[(3-methoxy-3-oxopropanoyl)amino]-3-nitrobenzoic acid; 4-propylthiomorpholine; hydrochloride Traditional Name: 4-[(3-keto-3-methoxy-propanoyl)amino]-3-nitro-benzoic acid; 4-propylthiomorpholine; hydrochloride Formula: C18H26ClN3O7S MolecularWeight: 463.93294

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCSCC1.COC(=O)CC(=O)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-].Cl

Isomeric SMILES

CCCN1CCSCC1.COC(=O)CC(=O)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C11H10N2O7.C7H15NS.ClH/c1-20-10(15)5-9(14)12-7-3-2-6(11(16)17)4-8(7)13(18)19;1-2-3-8-4-6-9-7-5-8;/h2-4H,5H2,1H3,(H,12,14)(H,16,17);2-7H2,1H3;1H