ethyl 4-[[3-[[2-azanyl-6-(ethoxycarbonylamino)-3-nitro-pyridin-4-yl]amino]-2-oxidanylidene-propyl]amino]benzoate

Systemtic Name: ethyl 4-[[3-[[2-azanyl-6-(ethoxycarbonylamino)-3-nitro-pyridin-4-yl]amino]-2-oxidanylidene-propyl]amino]benzoate Openeye Name: ethyl 4-[[3-[[2-amino-6-(ethoxycarbonylamino)-3-nitro-4-pyridyl]amino]-2-oxo-propyl]amino]benzoate CAS Name: 4-[[3-[[2-amino-6-(ethoxycarbonylamino)-3-nitro-4-pyridinyl]amino]-2-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-[[2-amino-6-(ethoxycarbonylamino)-3-nitropyridin-4-yl]amino]-2-oxopropyl]amino]benzoate Traditional Name: 4-[[3-[[2-amino-6-(carbethoxyamino)-3-nitro-4-pyridyl]amino]-2-keto-propyl]amino]benzoic acid ethyl ester Formula: C20H24N6O7 MolecularWeight: 460.44056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCC(=O)CNC2=CC(=NC(=C2[N+](=O)[O-])N)NC(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC(=O)CNC2=CC(=NC(=C2[N+](=O)[O-])N)NC(=O)OCC

InChI

InChI=1S/C20H24N6O7/c1-3-32-19(28)12-5-7-13(8-6-12)22-10-14(27)11-23-15-9-16(25-20(29)33-4-2)24-18(21)17(15)26(30)31/h5-9,22H,3-4,10-11H2,1-2H3,(H4,21,23,24,25,29)