4-[2-[(5-nitropyridin-2-yl)amino]ethyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 4-[2-[(5-nitropyridin-2-yl)amino]ethyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 2-isopropyl-4-[2-[(5-nitro-2-pyridyl)amino]ethyl]-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-[2-[(5-nitropyridin-2-yl)amino]ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 2-isopropyl-3-keto-4-[2-[(5-nitro-2-pyridyl)amino]ethyl]-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=CC=CC=C2O1)C(=O)O)CCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=CC=CC=C2O1)C(=O)O)CCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6/c1-12(2)18-19(25)23(10-9-21-16-8-7-13(11-22-16)24(28)29)17(20(26)27)14-5-3-4-6-15(14)30-18/h3-8,11-12,17-18H,9-10H2,1-2H3,(H,21,22)(H,26,27)