2-[[(3-methyl-4-nitro-phenyl)carbonylamino]carbamoyl]-7-propan-2-ylidene-bicyclo[2.2.1]heptane-3-carboxylic acid

Systemtic Name: 2-[[(3-methyl-4-nitro-phenyl)carbonylamino]carbamoyl]-7-propan-2-ylidene-bicyclo[2.2.1]heptane-3-carboxylic acid Openeye Name: 7-isopropylidene-3-[[(3-methyl-4-nitro-benzoyl)amino]carbamoyl]norbornane-2-carboxylic acid CAS Name: 2-[[[(3-methyl-4-nitrophenyl)-oxomethyl]hydrazo]-oxomethyl]-7-propan-2-ylidene-3-bicyclo[2.2.1]heptanecarboxylic acid IUPAC Name: 2-[[(3-methyl-4-nitrobenzoyl)amino]carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-3-carboxylic acid Traditional Name: 7-isopropylidene-3-[[(3-methyl-4-nitro-benzoyl)amino]carbamoyl]norbornane-2-carboxylic acid Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NNC(=O)C2C3CCC(C2C(=O)O)C3=C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NNC(=O)C2C3CCC(C2C(=O)O)C3=C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6/c1-9(2)15-12-5-6-13(15)17(20(26)27)16(12)19(25)22-21-18(24)11-4-7-14(23(28)29)10(3)8-11/h4,7-8,12-13,16-17H,5-6H2,1-3H3,(H,21,24)(H,22,25)(H,26,27)