4-[(E)-3-[4-(azepan-1-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-3-[4-(azepan-1-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-3-[4-(azepan-1-yl)phenyl]-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-3-[4-(1-azepanyl)phenyl]-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-3-[4-(azepan-1-yl)phenyl]-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-3-[4-(azepan-1-yl)phenyl]-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C21H21N2O4- MolecularWeight: 365.40244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O4/c24-20(11-5-16-6-12-21(25)19(15-16)23(26)27)17-7-9-18(10-8-17)22-13-3-1-2-4-14-22/h5-12,15,25H,1-4,13-14H2/p-1/b11-5+