N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-5-ethoxy-4-methoxy-2-nitro-benzamide

Systemtic Name: N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-5-ethoxy-4-methoxy-2-nitro-benzamide Openeye Name: N-[[4-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]methyl]-5-ethoxy-4-methoxy-2-nitro-benzamide CAS Name: N-[[4-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl]methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide IUPAC Name: N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide Traditional Name: N-[4-[(2-amino-2-keto-ethyl)carbamoyl]benzyl]-5-ethoxy-4-methoxy-2-nitro-benzamide Formula: C20H22N4O7 MolecularWeight: 430.41128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)NCC(=O)N)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)NCC(=O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N4O7/c1-3-31-17-8-14(15(24(28)29)9-16(17)30-2)20(27)22-10-12-4-6-13(7-5-12)19(26)23-11-18(21)25/h4-9H,3,10-11H2,1-2H3,(H2,21,25)(H,22,27)(H,23,26)