3-[(3S)-3-(1,3-benzodioxol-5-yl)-3-[(3-nitrophenyl)amino]propanoyl]-1-methyl-2-oxidanyl-quinolin-4-one

Systemtic Name: 3-[(3S)-3-(1,3-benzodioxol-5-yl)-3-[(3-nitrophenyl)amino]propanoyl]-1-methyl-2-oxidanyl-quinolin-4-one Openeye Name: 3-[(3S)-3-(1,3-benzodioxol-5-yl)-3-(3-nitroanilino)propanoyl]-2-hydroxy-1-methyl-quinolin-4-one CAS Name: 3-[(3S)-3-(1,3-benzodioxol-5-yl)-3-(3-nitroanilino)-1-oxopropyl]-2-hydroxy-1-methyl-4-quinolinone IUPAC Name: 3-[(3S)-3-(1,3-benzodioxol-5-yl)-3-(3-nitroanilino)propanoyl]-2-hydroxy-1-methylquinolin-4-one Traditional Name: 3-[(3S)-3-(1,3-benzodioxol-5-yl)-3-(3-nitroanilino)propanoyl]-2-hydroxy-1-methyl-4-quinolone Formula: C26H21N3O7 MolecularWeight: 487.46084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)CC(C3=CC4=C(C=C3)OCO4)NC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)C[C@@H](C3=CC4=C(C=C3)OCO4)NC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H21N3O7/c1-28-20-8-3-2-7-18(20)25(31)24(26(28)32)21(30)13-19(15-9-10-22-23(11-15)36-14-35-22)27-16-5-4-6-17(12-16)29(33)34/h2-12,19,27,32H,13-14H2,1H3/t19-/m0/s1