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

Systemtic Name: butylbenzene; 4-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-3-nitro-benzoic acid Openeye Name: butylbenzene; 4-[(3-methoxy-3-oxo-propanoyl)amino]-3-nitro-benzoic acid CAS Name: butylbenzene; 4-[(3-methoxy-1,3-dioxopropyl)amino]-3-nitrobenzoic acid IUPAC Name: butylbenzene; 4-[(3-methoxy-3-oxopropanoyl)amino]-3-nitrobenzoic acid Traditional Name: butylbenzene; 4-[(3-keto-3-methoxy-propanoyl)amino]-3-nitro-benzoic acid Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1.COC(=O)CC(=O)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=CC=C1.COC(=O)CC(=O)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O7.C10H14/c1-20-10(15)5-9(14)12-7-3-2-6(11(16)17)4-8(7)13(18)19;1-2-3-7-10-8-5-4-6-9-10/h2-4H,5H2,1H3,(H,12,14)(H,16,17);4-6,8-9H,2-3,7H2,1H3