2-[[(E)-2-methylpropylideneamino]-(4-nitrophenyl)carbonyl-amino]ethyl 4-nitrobenzoate

Systemtic Name: 2-[[(E)-2-methylpropylideneamino]-(4-nitrophenyl)carbonyl-amino]ethyl 4-nitrobenzoate Openeye Name: 2-[[(E)-2-methylpropylideneamino]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[[(E)-2-methylpropylideneamino]-[(4-nitrophenyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[(E)-2-methylpropylideneamino]-(4-nitrobenzoyl)amino]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[[(E)-2-methylpropylideneamino]-(4-nitrobenzoyl)amino]ethyl ester Formula: C20H20N4O7 MolecularWeight: 428.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=NN(CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)/C=N/N(CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O7/c1-14(2)13-21-22(19(25)15-3-7-17(8-4-15)23(27)28)11-12-31-20(26)16-5-9-18(10-6-16)24(29)30/h3-10,13-14H,11-12H2,1-2H3/b21-13+